3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide

C11H22N2OS — CID 104828391

IUPAC3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC(NC(=O)C(C)(C)C(N)=S)C(C)(C)C
InChIInChI=1S/C11H22N2OS/c1-7(10(2,3)4)13-9(14)11(5,6)8(12)15/h7H,1-6H3,(H2,12,15)(H,13,14)
InChIKeyIOSLYRRWPGZCMP-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide

3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide (PubChem CID 104828391) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
PubChem CID104828391
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC(NC(=O)C(C)(C)C(N)=S)C(C)(C)C
InChIInChI=1S/C11H22N2OS/c1-7(10(2,3)4)13-9(14)11(5,6)8(12)15/h7H,1-6H3,(H2,12,15)(H,13,14)
InChIKeyIOSLYRRWPGZCMP-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
3-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]-3-sulfanylidenepropanamide
CID 114115167
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
3-amino-N-(2,2-difluoroethyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 115407186
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897
(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 172508642
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
1-carbamothioyl-N-(3,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 104828379
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106277356

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide (CID 104828391) is 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide is CC(NC(=O)C(C)(C)C(N)=S)C(C)(C)C.
What is the InChIKey of 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The InChIKey is IOSLYRRWPGZCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-7(10(2,3)4)13-9(14)11(5,6)8(12)15/h7H,1-6H3,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide?
3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 104828391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).